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Home > Other Heterocycles > 92819-45-9
92819-45-9 | BICYCLO[2.2.1]HEPT-5-EN-2-YL ISOTHIOCYANATE
CAS No: 92819-45-9 Catalog No: AG006DAJ MDL No:MFCD00122413
Product Description
Catalog Number:
AG006DAJ
Chemical Name:
BICYCLO[2.2.1]HEPT-5-EN-2-YL ISOTHIOCYANATE
CAS Number:
92819-45-9
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD00122413
IUPAC Name:
5-isothiocyanatobicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C8H9NS/c10-5-9-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2
InChI Key:
NQXLBONFJOFNHD-UHFFFAOYSA-N
SMILES:
C1C(C2CC1C=C2)N=C=S
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.227g/mol
Monoisotopic Mass:
151.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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